Batch Screening

Performing Batch Screening

Access the Evaluation Module: From the main navigation, select the " ADMET Screening", click on the " GET STARTED" (Figure 1) option to access the batch screening interface.

Figure 1: Batch screening process

2. Upload Input File: Upload a file containing multiple compounds in SDF, TXT, or CSV format. Alternatively, users can paste a list of SMILES strings directly into the input field (Figure 2).

Figure 2: How to upload the inpute file for batch screening process.

3. Initiate Processing: Click the "Submit" button to begin batch processing. The system will queue the job and process compounds sequentially (Figure 3).

Figure 3: Submission of batch compounds.

4. Download Results: Once complete, results can be downloaded in CSV format (Figure 4) for further analysis outside the platform.

Figure 4: Batch screening result.

ADMETlab 3.0 Output

Page updated

Google Sites

Report abuse